| CAS Number | 1216596-20-1 |
| Catalog Number | AG00ITR7(AGN-PC-0WATGF) |
| Chemical Name | ethyl 3-amino-4-iodo-1-benzothiophene-2-carboxylate |
| IUPAC Name | ethyl 3-amino-4-iodo-1-benzothiophene-2-carboxylate |
| InChI | InChI=1S/C11H10INO2S/c1-2-15-11(14)10-9(13)8-6(12)4-3-5-7(8)16-10/h3-5H,2,13H2,1H3 |
| InChI Key | CBOVQTUDKKVQDH-UHFFFAOYSA-N |
| MDL Number | MFCD11505027 |
| Molecular Formula | C11H10INO2S |
| Molecular Weight | 347.1721 |
| SMILES | C1=CC=C2C(C(N)=C(C(=O)OCC)S2)=C1I |
| Synonyms | Ethyl 3-Amino-4-iodo-1-benzothiophene-2-carboxylate,
1216596-20-1,
ethyl 3-amino-4-iodobenzo[b]thiophene-2-carboxylate,
CTK6F8131,
KS-00001W6H,
ZX-RL000829,
MFCD11505027,
SBB053977,
ZINC40448027,
AKOS025116802,
OR110095,
BC4718538,
3Y-0085,
ethyl 3-amino-4-iodo-1-benzo[b]thiophene-2-carboxylate,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 346.948g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 347.17g/mol |
| Monoisotopic Mass | 346.948g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number